8013-1124 Screening compound: 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

8013-1124 Screening compound: 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
8013-1124 Screening compound: 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1124
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8013-1124

Molecular Formula

C14H18F3N3O2 (C14 H18 F3 N3 O2)

Compound Name

2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

CN1CCN(CC(Nc(cc2)ccc2OC(F)(F)F)=O)CC1

InChI

InChI=1S/C14H18F3N3O2/c1-19-6-8-20(9-7-19)10-13(21)18-11-2-4-12(5-3-11)22-14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)

InChI Key

YYAFRCSKJGUJBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409041

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

317.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-3.10

Polar Surface Area

36.534

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-1124 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1124?
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What is the minimum amount of 8013-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1124
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8013-1124 available by request